About 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 158436222) has the molecular formula C191H198Cl2F8N22O35
and a molecular weight of 3584.69 g/mol. Its IUPAC name is 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
Frequently Asked Questions
What is the IUPAC name of 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 158436222) is 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)c1nn(-c2ccc(F)cc2)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)ccc(Cl)c12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2ccc(C(F)(F)F)nc12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2cnc(C(F)(F)F)cc12.CCOc1nn(C(C)(C)C)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2.COc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)cccc12.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HCGIUDOVKFCJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN4O4.C28H31FN4O4.C27H29ClN2O4.2C26H26F3N3O3.C26H28N2O4.C24H32N4O5.4CO2/c31-25-16-21(8-11-26(25)32)27-22(18-36(33-27)24-4-2-1-3-5-24)17-34-14-12-30(13-15-34)19-35(29(39)40-30)23-9-6-20(7-10-23)28(37)38;1-27(2,3)24-20(17-33(30-24)23-10-6-21(29)7-11-23)16-31-14-12-28(13-15-31)18-32(26(36)37-28)22-8-4-19(5-9-22)25(34)35;1-3-33-24-16-19(15-21-23(32-2)10-9-22(28)25(21)24)17-29-13-11-27(12-14-29)18-30(26(31)34-27)20-7-5-4-6-8-20;1-2-34-22-13-18(12-19-15-30-23(14-21(19)22)26(27,28)29)16-31-10-8-25(9-11-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-2-34-21-15-18(14-19-8-9-22(26(27,28)29)30-23(19)21)16-31-12-10-25(11-13-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-30-23-10-6-9-21-22(23)15-19(16-24(21)31-2)17-27-13-11-26(12-14-27)18-28(25(29)32-26)20-7-4-3-5-8-20;1-5-32-20-18(15-28(25-20)23(2,3)4)14-26-12-10-24(11-13-26)16-27(22(31)33-24)19-8-6-17(7-9-19)21(29)30;4*2-1-3/h1-11,16,18H,12-15,17,19H2,(H,37,38);4-11,17H,12-16,18H2,1-3H3,(H,34,35);4-10,15-16H,3,11-14,17-18H2,1-2H3;3-7,12-15H,2,8-11,16-17H2,1H3;3-9,14-15H,2,10-13,16-17H2,1H3;3-10,15-16H,11-14,17-18H2,1-2H3;6-9,15H,5,10-14,16H2,1-4H3,(H,29,30);;;;.
What are the key properties of 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 3584.69 g/mol, XLogP of 34.44, 38 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(1-tert-butyl-3-ethoxypyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158436222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).